(2Z,5Z)-2-hydroxyimino-5-[(2-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one

C13H10N4O2S — CID 135439668

IUPAC(2Z,5Z)-2-hydroxyimino-5-[(2-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/O)S/C1=C\c1ccccc1-n1cccn1
InChIInChI=1S/C13H10N4O2S/c18-12-11(20-13(15-12)16-19)8-9-4-1-2-5-10(9)17-7-3-6-14-17/h1-8,19H,(H,15,16,18)/b11-8-
InChIKeyOAXLHJVRJZIGHQ-FLIBITNWSA-N
MW286.32 g/mol
LogP1.82
Rot. Bonds2

About (2Z,5Z)-2-hydroxyimino-5-[(2-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one

(2Z,5Z)-2-hydroxyimino-5-[(2-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135439668) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is (2Z,5Z)-2-hydroxyimino-5-[(2-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-hydroxyimino-5-[(2-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135439668
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name(2Z,5Z)-2-hydroxyimino-5-[(2-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/O)S/C1=C\c1ccccc1-n1cccn1
InChIInChI=1S/C13H10N4O2S/c18-12-11(20-13(15-12)16-19)8-9-4-1-2-5-10(9)17-7-3-6-14-17/h1-8,19H,(H,15,16,18)/b11-8-
InChIKeyOAXLHJVRJZIGHQ-FLIBITNWSA-N
XLogP1.82
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-2-mercaptothiazol-4(5H)-one
CID 1526878
US11649231, Example 1-1K
CID 9027736
US11649231, Example 1-37
CID 150647632
US11649231, Example 1-8
CID 151182491
(5E)-5-[[4-(4-nitropyrazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 155525777
(z)-5-((1,3-Diphenyl-1h-pyrazol-4-yl)methylene)thiazolidine-2,4-dione
CID 6195914
US11649231, Example 1-6
CID 150104249
US11649231, Example 1-7
CID 150286833
(5Z)-3-cyclohexyl-2-phenylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one
CID 122196312
(5Z)-3-methyl-2-phenylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one
CID 122196318
(5Z)-3-methyl-2-methylimino-5-[[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]methylidene]-1,3-thiazolidin-4-one
CID 122196321
(5Z)-5-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methylidene]-2-methylimino-1,3-thiazolidin-4-one
CID 136042186

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-hydroxyimino-5-[(2-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-hydroxyimino-5-[(2-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 135439668) is (2Z,5Z)-2-hydroxyimino-5-[(2-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-hydroxyimino-5-[(2-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-hydroxyimino-5-[(2-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/O)S/C1=C\c1ccccc1-n1cccn1.
What is the InChIKey of (2Z,5Z)-2-hydroxyimino-5-[(2-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is OAXLHJVRJZIGHQ-FLIBITNWSA-N. The full InChI is InChI=1S/C13H10N4O2S/c18-12-11(20-13(15-12)16-19)8-9-4-1-2-5-10(9)17-7-3-6-14-17/h1-8,19H,(H,15,16,18)/b11-8-.
What are the key properties of (2Z,5Z)-2-hydroxyimino-5-[(2-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-2-hydroxyimino-5-[(2-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 286.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-hydroxyimino-5-[(2-pyrazol-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135439668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).